Geometry & MOs

Info

ID:

51704

PubChem CID:

12014425

Reduced:

SO4N5H23C26 (1)

Stoich.:

AB4C5D23E26 (1)

Weight, g/mol:

501.11069

ΔHf, kcal/mol:

7.35

Dipole, Da:

8.3

IP(EA), eV:

 -8.42(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-oxo-5-[[2-oxo-4-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-pyrimidin-6-yl]amino]-3-phenylthieno[3,4-d]pyridazine-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC3=NOC(=C3)C4=CC=C(C=C4)N(C)C)C5=CC=CC=C5

DOS

IR

Vibrations